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Comparative catalytic approach of Ag doped ZnO with various nanocarbon materials toward CO2reduction with magnetic field and carbon form dependence
Author(s)
Date Issued
December 1, 2022
Type
Article
Abstract
Graphene oxide (GO) is a compromising catalyst material with a two-dimensional layer of carbon atoms having sp2 hybridization bonded in a hexagonal lattice structure. The gCN is a member of 2D-structured metal-free carbon materials. In this study, GO, gCN, fluorine, and nitrogen treated GO and ZnO-Ag (Ag doped ZnO) loaded carbon nanocomposites were studied. Fluorine and nitrogen treated GO is an up-rising carbon member. It has high stability. Its layer structure possess unique properties due to its C-F (covalent and semi -ionic) and C-N bonds. The computer simulations of all molecules were conducted using the Hartree-Fock function with a 6-311 G∗ mode on Spartan'14 software. A number of properties like molecule structure, electrostatic potential, local ionization potential, density, HOMO, and LUMO level of the molecules were obtained from computer simulations. Electrochemical CO2 reduction to CH3OH on catalysts was investigated in different electrolysis conditions, such as different electrolytes with UV-light and 0.07 T magnetic core treatment. Results showed that the introduction of ZnO-Ag on carbon nanocomposites improved properties of carbon nanocomposites, leading to a high conversion of CO2 to CH3OH. Methanol production rate was improved by five-times after UV-light (λ = 254 nm) and 0.07 T magnetic core treatment. Faradaic efficiencies of carbon nanocomposites for methanol production through electrochemical reduction of CO2 in bicarbonate buffer and electrolytes were found to be 67.48% and 58.93% (compared to Ag/AgCl) at - 2.7 V, respectively. Charge carrier properties and morphology profile of these nanocomposites were also analyzed.
Citation
Journal of Environmental Chemical Engineering, 10(6), 2022